7-fluoro-1-methoxyphenanthrene

C15H11FO — CID 164673626

IUPAC7-fluoro-1-methoxyphenanthrene
SMILESCOc1cccc2c1ccc1cc(F)ccc12
InChIInChI=1S/C15H11FO/c1-17-15-4-2-3-13-12-8-6-11(16)9-10(12)5-7-14(13)15/h2-9H,1H3
InChIKeyNQPCUHNKZDCOHZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP4.14
Rot. Bonds1

About 7-fluoro-1-methoxyphenanthrene

7-fluoro-1-methoxyphenanthrene (PubChem CID 164673626) has the molecular formula C15H11FO and a molecular weight of 226.25 g/mol. Its IUPAC name is 7-fluoro-1-methoxyphenanthrene.

Molecular Properties

Compound Name7-fluoro-1-methoxyphenanthrene
PubChem CID164673626
Molecular FormulaC15H11FO
Molecular Weight226.25 g/mol
Exact Mass226.08
IUPAC Name7-fluoro-1-methoxyphenanthrene
SMILESCOc1cccc2c1ccc1cc(F)ccc12
InChIInChI=1S/C15H11FO/c1-17-15-4-2-3-13-12-8-6-11(16)9-10(12)5-7-14(13)15/h2-9H,1H3
InChIKeyNQPCUHNKZDCOHZ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-Methoxynaphthalene
CID 7119
1-Methoxynaphthalene
CID 16668
1,4-Dimethoxyanthracene
CID 83107
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Naproxol
CID 3032818
Benzo(kl)xanthene
CID 67456
Nabumetone alcohol
CID 10911373
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
4-Methoxy-1-naphthonitrile
CID 80063
1,4-Dimethoxynaphthalene
CID 82337
Naphthalene, 1-(phenylmethoxy)-
CID 136404
1-Methoxyphenanthrene
CID 43547

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methoxyphenanthrene?
The IUPAC name of 7-fluoro-1-methoxyphenanthrene (CID 164673626) is 7-fluoro-1-methoxyphenanthrene.
What is the SMILES notation for 7-fluoro-1-methoxyphenanthrene?
The canonical SMILES for 7-fluoro-1-methoxyphenanthrene is COc1cccc2c1ccc1cc(F)ccc12.
What is the InChIKey of 7-fluoro-1-methoxyphenanthrene?
The InChIKey is NQPCUHNKZDCOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO/c1-17-15-4-2-3-13-12-8-6-11(16)9-10(12)5-7-14(13)15/h2-9H,1H3.
What are the key properties of 7-fluoro-1-methoxyphenanthrene?
7-fluoro-1-methoxyphenanthrene has a molecular weight of 226.25 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methoxyphenanthrene is sourced from PubChem (CID 164673626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).